铜纳米线结构与能量分布随温度变化特征的计算机模拟

Study on the Structure and the Energy Distribution of Cu Nanowires by Molecular Dynamic Simulations

采用分子动力学方法对不同体系的铜纳米线在不同温度下的结构与能量分布特征进行了计算机模拟,得到铜纳米线随温度变化时在不同方向的结构变化和能量分布图,并对其进行了分析和讨论.

In this paper, the structure and the atomic energy distribution of copper nanowires with different system at different temperature has been computer-simulated by molecular dynamics method, The characteristics of the structure and the atomic energy distribution of copper nanowires have been obtaimed in different directions with different temperature, and it＇s analyzed and discussed.